ChemSpider 2D Image | N-{3-[5-(2-Amino-5-pyrimidinyl)-2-(2-methyl-2-propanyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide | C23H20F3N5O2S2

N-{3-[5-(2-Amino-5-pyrimidinyl)-2-(2-methyl-2-propanyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide

  • Molecular FormulaC23H20F3N5O2S2
  • Average mass519.562 Da
  • Monoisotopic mass519.101074 Da
  • ChemSpider ID72867305

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Benzenesulfonamide, N-[3-[5-(2-amino-5-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro- [ACD/Index Name]
N-{3-[5-(2-Amino-5-pyrimidinyl)-2-(2-methyl-2-propanyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide [ACD/IUPAC Name]
N-{3-[5-(2-Amino-5-pyrimidinyl)-2-(2-méthyl-2-propanyl)-1,3-thiazol-4-yl]-2-fluorophényl}-2,6-difluorobenzènesulfonamide [French] [ACD/IUPAC Name]
N-{3-[5-(2-Amino-5-pyrimidinyl)-2-(2-methyl-2-propanyl)-1,3-thiazol-4-yl]-2-fluorphenyl}-2,6-difluorbenzolsulfonamid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 654.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.7±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 127.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 423.35
ACD/KOC (pH 5.5): 2578.15
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 61.05
ACD/KOC (pH 7.4): 371.80
Polar Surface Area: 147 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 359.9±3.0 cm3

Click to predict properties on the Chemicalize site


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